SCHEMBL5161880

SCHEMBL5161880

CC(C)c1ccc(-c2csc(C(NCc3ccc(C(=O)O)cc3)c3cccs3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
KDM4E B2RXH2 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
GCGR P47871 1/20 0.40
GIPR P48546 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MRE11 P49959 1/20 0.39
PTGER4 P35408 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MASP2 O00187 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3452514 0.91 RAB9A (0.40) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL5163151 0.90 MEP1B (0.41) MRE11HDAC3HDAC1HDAC2HDAC8
SCHEMBL3452789 0.84 DHODH (0.40) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL3452543 0.83 MRE11 (0.36) RAB9ANPC1GCGRGIPRMRE11
Hydrochloric Acid SCHEMBL3453297 0.83 NPC1 (0.39) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL3451928 0.80 TRPA1 (0.38) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3452698 0.80 KDM4E (0.40) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL3453876 0.77 TRPA1 (0.35) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL3451983 0.76 MAPT (0.37) KDM4ESMN1; SMN2MEN1KMT2AHTT
SCHEMBL3451621 0.76 MRE11 (0.37) RAB9ANPC1SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP claimed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US claimed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R RAB9A 1296/4885NPC1 952/4885KDM4E 2378/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.